1. Universitat Rovira i Virgili

Search        

Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2025ss3-eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3588.14019049; Eh
thumbnail.jpeg9-Jun-2025ss1-HMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3588.48381836; Eh
thumbnail.jpeg9-Jun-2025ss3Masip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3588.00187282; Eh
thumbnail.jpeg9-Jun-2025ss1-2H-eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3589.11221868; Eh
thumbnail.jpeg9-Jun-2025ss2-H-2eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3588.77062339; Eh
thumbnail.jpeg9-Jun-2025ss3-2HMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3588.96441500; Eh
thumbnail.jpeg9-Jun-2025ss4-2HMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-3588.95716458; Eh
thumbnail.jpeg9-Jun-2025v10-2H-eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2823.47492271; Eh
thumbnail.jpeg9-Jun-2025ss1-eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-3588.13892950; Eh
thumbnail.jpeg9-Jun-2025v10-H-2eMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GEN-2823.11377563; Eh
Results 2791-2800 of 2835 (Search time: 0.002 seconds).

Discover